2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide

C20H23N3O3S — CID 112502119

IUPAC2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
SMILESCc1nc(CCNC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C20H23N3O3S/c1-12(2)10-17(18(24)21-9-8-14-11-27-13(3)22-14)23-19(25)15-6-4-5-7-16(15)20(23)26/h4-7,11-12,17H,8-10H2,1-3H3,(H,21,24)
InChIKeyAUXPWRUYZYECIO-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.82
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide

2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide (PubChem CID 112502119) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
PubChem CID112502119
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
SMILESCc1nc(CCNC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C20H23N3O3S/c1-12(2)10-17(18(24)21-9-8-14-11-27-13(3)22-14)23-19(25)15-6-4-5-7-16(15)20(23)26/h4-7,11-12,17H,8-10H2,1-3H3,(H,21,24)
InChIKeyAUXPWRUYZYECIO-UHFFFAOYSA-N
XLogP2.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide (CID 112502119) is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide is Cc1nc(CCNC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)cs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
The InChIKey is AUXPWRUYZYECIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-12(2)10-17(18(24)21-9-8-14-11-27-13(3)22-14)23-19(25)15-6-4-5-7-16(15)20(23)26/h4-7,11-12,17H,8-10H2,1-3H3,(H,21,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide?
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide has a molecular weight of 385.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 112502119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).